Browsing Fakultät für Chemie (inkl. GAUSS) by Advisor & Referee "Geil, Burkhard Prof. Dr."
Now showing items 1-20 of 23
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Schwingungsspektroskopische Untersuchungen der Wasserstoffbrückendynamik in Alkohol-α-Hydroxyester-Komplexen aus topologischer und chiraler Perspektive
(2024-04-26)The success of an organocatalytic reaction in which the bond between substrate and catalyst is non-covalent, e.g. in the form of a hydrogen bond, is determined by the topology of the hydrogen bond in the prereactive complex. ... -
Inelastic Hydrogen Atom Scattering from Semiconductor Surfaces
(2023-12-11)The adiabatic approximation is widely applied to describe interactions of atoms and molecules with solid surfaces. It assumes that the electronic system stays in the lowest-energy ground state during the interaction and ... -
Computational Description of Chemical Bond Formation Using Neural-Network Potentials: H-Atom Scattering from Graphene
(2022-08-01)When a hydrogen or a deuterium atom is interacting with a graphene surface during scattering events, its energy loss determines if the projectile will be adsorbed or scattered. The energy loss highly depends on the initial ... -
Ramanspektroskopische Untersuchung der Esterfaltung in Überschallexpansionen, Oder: Wie man bei der Suche nach der Haarnadel im Esterhaufen fünf auf einmal findet
(2022-06-29)The conformational preference of linear alkyl chains with an ester group in the center was investigated using Raman spectroscopy in supersonic expansions. Like alkanes, short esters prefer a stretched conformation, but ... -
Schwingungsspektroskopische Untersuchung der Aggregation und Isomerisierung von Modellpeptiden in der Jet-Expansion am Beispiel kleiner sekundärer Amide
(2021-08-06)Small secondary amides serve as simple and yet realistic model systems for hydrogen bonds in peptides and the rotational isomerization about the actual peptide bond. The preferred structures of small amide clusters (e. ... -
Charakterisierung maßgeschneiderter makromolekularer Systeme: Analyse von photoschaltbaren Polymeren und Untersuchung der Wärmeleitfähigkeit von Polymeren und Polymernanokompositen
(2021-04-23)In this work, tailored azobenzene-based polymers were synthesized and characterized with respect to their isomerization kinetics, micro structure and thermal conductivity. Additionally, the thermal conductivity of ... -
Ion mobility mass spectrometry as a powerful tool to analyze complex macromolecular systems
(2021-02-01)Modern applications of polymers rely on intricately tailored macromolecules exhibiting very specific properties and therefore require extensive analysis. In this context, IMMS is an immensely powerful technique since it ... -
Tailoring the Mechanical Properties of Montmorillonite-Nanocomposites via Surface-Bound RAFT-Polymer
(2021-01-19)The successful preparation of Montmorillonite--polymer-nanocomposites with tailorable mechanical properties via surface grafting of RAFT polymers was presented. Strategies to precisely tune the properties of filler--matrix ... -
IR-Untersuchung von schwach gebundenen Molekülaggregaten im Überschallstrahl
(2020-11-16)Quantum chemical methods can be benchmarked by investigating cold and isolated molecular clusters in supersonic expansions via FTIR spectroscopy. The long absorption path necessary for sufficient intensity leads to a high ... -
Klassifizierung polarer Metall-Kohlenstoff-Bindungen in hauptgruppenmetallorganischen Verbindungen mittels experimenteller Elektronendichteanalyse
(2020-10-20)In general, organometallic compounds are characterized by their metal-carbon bond. This is characterized by its polar nature. Examples of this class of compounds are Grignard reagents and organolithium compounds such as ... -
Oberflächenstrukturen modulierter Systeme - Darstellung von regelmäßig angeordneten, polaren Nanodomänen mittels Piezoresponse Force Microscopy
(2020-07-23)Piezo force microscopy has been used to visualize nanoscaled surface charge density waves in a modulated ferroelectric system for the first time. Those self-organized structures are found in incommensurate systems close ... -
Investigation of Polymer-Filler Interactions Using Functionalized Nanoparticles
(2020-03-16)Silica and carbon black (CB) particles were successfully functionalized by exploiting the characteristic features of the reversible addition--fragmentation chain transfer (RAFT) polymerization. This enabled both the ... -
Theoretical high-resolution spectroscopy for reactive molecules in astrochemistry and combustion processes
(2019-12-19)Rovibrational spectroscopy is a prime tool for the indirect investigation of molecular potential energy surfaces (PES). Naturally, theoretical predictions of molecular spectra have been the focus of numerous works since ... -
The Dynamics of Highly Vibrationally Excited CO Scattered from Metal Surfaces
(2019-04-26)Supersonic molecular beams of highly vibrationally excited CO are scattered from atomically clean Au(111) and Ag(111) surfaces. Specifically, incident CO is prepared in the (v = 17, J = 0) state of the electronic ground ... -
Funktionelle Polymere mittels kontrollierter Polymerisationstechniken: Von der Massenspektrometrie endfunktionalisierter Polymere und den mechanischen Eigenschaften photovernetzbarer Blockcopolymere
(2019-02-06)In this thesis polymers were functionalized with terminal ammonium groups leading to new fields of their application. Their analysis by mass spectrometry was optimized or became generally accessible. In addition, reversibly ... -
Implementing Ion Imaging to Probe Chemical Kinetics and Dynamics at Surfaces
(2018-07-03)In this thesis I present a novel surface science apparatus and new methods to measure and analyze reaction kinetics at surfaces. By combining crossed-beam surface scattering with universal fs-laser ionization and ion ... -
Hybrid Simulation Methods for Systems in Condensed Phase
(2018-05-23)Reactions in solution are important in the chemical and pharmaceutical industry as well as in biochemical contexts. In fact, the solvent effects are stronger than many other factors and can slow down or speed up a reaction ... -
Tuning Mesoporous Silica Structures via RAFT Polymers: From Multiblock Copolymers as new Templates to Surface Modification
(2018-03-06)In this work, new procedures to tailor mesoporous silica thin films are presented. On the one hand, linear multiblock copolymers were utilized as structure directing agents for the synthesis of mesoporous silica thin films. ... -
Solid Supported Model Membranes Containing Plant Glycolipids: A Tool to Study Interactions between Diatom Biomolecules and the Silicalemma in vitro
(2017-06-22)Silica biomineralization in diatoms is presumably controlled by a self-assembly of biomolecules inside membrane-enclosed silica deposition vesicles. The fine-patterned structure of the diatom’s cell wall is thereby determined ... -
Biomimetic Polymer Systems via RAFT Polymerization - Routes to High-Performance Materials
(2016-12-13)Nature provides numerous examples of structural materials with outstanding mechanical properties. An especially intriguing material is spider dragline silk that outmatches man-made high-performance fibers such as Kevlar ...